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Anthraquinone derivatives as an Immune Booster and their Therapeutic Option Against COVID-19

Natural Products and Bioprospecting 2020年第5期10卷 325-335页

作者： Pukar Khanal B.M.Patil Jagdish Chand Yasmin Naaz Department of Pharmacology and Toxicology KLE College of PharmacyBelagaviKLE Academy of Higher Education and Research(KAHER)Belagavi 590010India Department of Pharmaceutical Chemistry KLE College of PharmacyBelagaviKLE Academy of Higher Education and Research(KAHER)Belagavi 590010India

Anthraquinone derivatives are identified for their immune-boosting,anti-inflammatory,and anti-viral ***,the pre-sent study aimed to investigate the reported anthraquinone derivatives as immune booster molecules in COVID-19 infection and evaluate their binding affinity with three reported targets of novel coronavirus i.e.3C-like protease,papain-like protease,and spike *** reported anthraquinone derivatives were retrieved from an open-source database and filtered based on a positive druglikeness *** with positive druglikeness scores were predicted for their targets using DIGEP-Pred and the interaction among modulated proteins was evaluated using ***,the associated pathways were recorded concerning the Kyoto Encyclopedia of Genes and Genomes pathway ***,the docking was performed using autodock4 to identify the binding efficacy of anthraquinone derivatives with 3C-like protease,papain-like protease,and spike *** docking the pose of ligand scoring minimum binding energy was chosen to visualize the ligand-protein *** 101 bioactives,36 scored positive druglikeness score and regulated multiple pathways concerned with immune modulation and(non-)infectious ***,docking study revealed torososide B to possess the highest binding affinity with papain-like protease and 3C-like protease and 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6′-O-acetyl)-β-d-xylopyranosyl-(1→2)-β-d-glucopyranoside with spike protein.

关键词： 3CLpro anthroquine derivatives Coronavirus COVID-19 Immune boost

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